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Information card for entry 4317049
Preview
| Coordinates | 4317049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C158 H136 Mn16 N10 O50 |
|---|---|
| Calculated formula | C158 H136 Mn16 N10 O50 |
| Title of publication | Mn8 and Mn16 Clusters from the Use of 2-(Hydroxymethyl)pyridine, and Comparison with the Products from Bulkier Chelates: A New High Nuclearity Single-Molecule Magnet |
| Authors of publication | Taketo Taguchi; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10579 - 10589 |
| a | 16.821 ± 0.002 Å |
| b | 17.187 ± 0.002 Å |
| c | 18.69 ± 0.003 Å |
| α | 71.97 ± 0.002° |
| β | 69.929 ± 0.002° |
| γ | 68.573 ± 0.002° |
| Cell volume | 4618.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1186 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.176 |
| Weighted residual factors for all reflections included in the refinement | 0.1921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179250 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/70. |
4317049.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317049.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317049.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4317049.cif |
| 10561 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4317049 via cif-deposit CGI script. |
4317049.cif |
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